Geometry & MOs

Info

ID:	214079
PubChem CID:	81067231
Reduced:	O2N5C13H25 (1)
Stoich.:	A2B5C13D25 (1)
Weight, g/mol:	255.127072
ΔH_f, kcal/mol:	-62.33
Dipole, Da:	3.3
IP(EA), eV:	-8.86(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-ethoxyethyl(methyl)amino]methyl]-5-fluorobenzoic acid

Drug info:

PubChemData

Smile

CCCNC1=NC(=NC(=N1)OCC)N(C)CCOCC

DOS

IR

Vibrations